Benzyl 4-methyl-1H-pyrrole-3-carboxylate

Base Information

Chemical Name:Benzyl 4-methyl-1H-pyrrole-3-carboxylate
CAS No.:89909-40-0
Molecular Formula:C13H13NO2
Molecular Weight:215.252
Hs Code.:
DSSTox Substance ID:DTXSID20706113
Wikidata:Q82639359

Synonyms:Benzyl 4-methyl-1H-pyrrole-3-carboxylate;89909-40-0;SCHEMBL4528251;DTXSID20706113

Suppliers and Price of Benzyl 4-methyl-1H-pyrrole-3-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of Benzyl 4-methyl-1H-pyrrole-3-carboxylate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:215.094628657
Heavy Atom Count:16
Complexity:236

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CNC=C1C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 4-methyl-1H-pyrrole-3-carboxylate

There total 1 articles about Benzyl 4-methyl-1H-pyrrole-3-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 68.0%

: 38622-91-2,36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: 71338-71-1
benzyl (E)-2-butenoate

: 89909-40-0
benzyl 3-methylpyrrole-4-carboxylate

Guidance literature:: With sodium hydride; In diethyl ether; dimethyl sulfoxide; for 0.5h; Ambient temperature;
DOI:10.1021/jo00355a015

Reference yield:

: 89909-40-0
benzyl 3-methylpyrrole-4-carboxylate

: 100082-68-6
4,6-bis(2-acetoxyethyl)-8-<(benzyloxy)carbonyl>-1-<2-(methoxycarbonyl)ethyl>-1',2,3,5,7,-pentamethyl-a,c-biladiene

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) HCl, 2.) H₂O / 1.) Et₂O, from 0 deg C to 20 deg C, 1 h, 2.) MeOH, 70 deg C, 20 min

2: 1.) TFA / 1.) RT, 5 min, 2.) CH₂Cl₂, MeOH, RT, 60 min

With hydrogenchloride; water; trifluoroacetic acid;
DOI:10.1021/jo00355a015

Reference yield:

: 557-21-1
dicyanozinc

: 89909-40-0
benzyl 3-methylpyrrole-4-carboxylate

: 89909-53-5
benzyl 2-formyl-3-methylpyrrole-4-carboxylate

Guidance literature:: With hydrogenchloride; water; Yield given. Multistep reaction; 1.) Et₂O, from 0 deg C to 20 deg C, 1 h, 2.) MeOH, 70 deg C, 20 min;
DOI:10.1021/jo00355a015